6-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carbonitrile Openeye Name: 6-[(6-morpholinopyridin-1-ium-3-yl)methylamino]pyridine-3-carbonitrile CAS Name: 6-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carbonitrile Traditional Name: 6-[(6-morpholinopyridin-1-ium-3-yl)methylamino]nicotinonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=NC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C16H17N5O/c17-9-13-1-3-15(18-10-13)19-11-14-2-4-16(20-12-14)21-5-7-22-8-6-21/h1-4,10,12H,5-8,11H2,(H,18,19)/p+1